Didesethyl Chloroquine - Moligand™, ≥98% , CAS No.4298-14-0

CAS: 4298-14-0 Cat. No.: D330775 분자식: C₁₄H₁₈ClN₃ 분자량: 263.77

GRADE & PURITY Moligand™, ≥98%

Synonyms

FT-0666690 | M48JF33RF8 | UNII-M48JF33RF8 | NSC816556 | Bisdeethylchloroquine | N,N-Dideethylchloroquine | 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)- | AKOS017547688 | BS-15120 | Didesethyl Chloroquine | SCHEMBL6659403 | CQMM | Bi-(deethyl)chloroquin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Didesethyl chloroquine (Bisdesethylchloroquine) is a major metabolite of the antimalarial agent Chloroquine. Didesethyl chloroquine is a potent myocardial depressant.

Specifications

동의어

FT-0666690 | M48JF33RF8 | UNII-M48JF33RF8 | NSC816556 | Bisdeethylchloroquine | N,N-Dideethylchloroquine | 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)- | AKOS017547688 | BS-15120 | Didesethyl Chloroquine | SCHEMBL6659403 | CQMM | Bi-(deethyl)chloroquin

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528769600
• 정식 스마일: CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl
• IUPAC Name: 4-N-(7-chloroquinolin-4-yl)pentane-1,4-diamine
• InChIKey: GYEDIFVVTRKXHP-UHFFFAOYSA-N
• INCHI: 1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)
• 이성체 SMILES: CC(CCCN)NC1=C2C=CC(=CC2=NC=C1)Cl
• 분자량: 263.77
• Reaxy-Rn: 14186
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14186&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Chloroquinolines Secondary alkylarylamines Aminopyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Secondary amine - Amine - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Chloroform and Methanol
• 녹는점(°C): 135-137° C
• 분자량: 263.760 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 263.119 Da
• Monoisotopic Mass: 263.119 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1